diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt index d6b0d052b5a513f99bc23abadcd507c818bb9654..e7c1a67fe3aac43ebe7a29788e98a9ec2157962a 100644 --- a/doc/src/Build_extras.txt +++ b/doc/src/Build_extras.txt @@ -731,10 +731,17 @@ The LAMMPS executable these steps produce is not yet functional for a QM/MM simulation. You must also build Quantum ESPRESSO and create a new executable which links LAMMPS and Quantum ESPRESSO together. These are steps 3 and 4 described in the lib/qmmm/README file. +Unfortunately, the Quantum ESPRESSO developers keep breaking the +interface that the QM/MM code in LAMMPS is using, so that currently +(Summer 2018) using this feature requires either correcting the +library interface feature in recent Quantum ESPRESSO releases, or +using an outdated version of QE. The last version of Quantum ESPRESSO +known to work with this QM/MM interface in LAMMPS was version 5.4 +from 2016. [CMake build]: -TODO: how to do this +TODO: how to do this? [Traditional make]: @@ -767,7 +774,7 @@ USER-QUIP package :h4,link(user-quip) [CMake build]: -TODO: how to do this +TODO: how to do this? [Traditional make]: